3-Acetyl-1-(phenylsulfonyl)pyrrole
- Product Name3-Acetyl-1-(phenylsulfonyl)pyrrole
- CAS81453-98-7
- CBNumberCB3684067
- MFC12H11NO3S
- MW249.29
- MDL NumberMFCD00067752
- MOL File81453-98-7.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 96-99 °C(lit.) |
| Boiling point | 435.7±37.0 °C(Predicted) |
| Density | 1.3164 (rough estimate) |
| refractive index | 1.6000 (estimate) |
| form | Solid |
| pka | -11.54±0.70(Predicted) |
| InChI | 1S/C12H11NO3S/c1-10(14)11-7-8-13(9-11)17(15,16)12-5-3-2-4-6-12/h2-9H,1H3 |
| InChIKey | HTMLKRFQINMFRA-UHFFFAOYSA-N |
| SMILES | CC(=O)c1ccn(c1)S(=O)(=O)c2ccccc2 |
| CAS DataBase Reference | 81453-98-7(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P305+P351+P338 | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-36 | |||||||||
| WGK Germany | 3 | |||||||||
| Hazard Note | Irritant | |||||||||
| HS Code | 29350090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 | |||||||||
| NFPA 704: |
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